CandidateDrug4Cancer: An Open Molecular Graph Learning Benchmark on Drug Discovery for Cancer

no code implementations • 2 Mar 2022 • Xianbin Ye, Ziliang Li, Fei Ma, Zongbi Yi, Pengyong Li, Jun Wang, Peng Gao, Yixuan Qiao, Guotong Xie

Anti-cancer drug discoveries have been serendipitous, we sought to present the Open Molecular Graph Learning Benchmark, named CandidateDrug4Cancer, a challenging and realistic benchmark dataset to facilitate scalable, robust, and reproducible graph machine learning research for anti-cancer drug discovery.

Drug Discovery Graph Learning